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Geoffrey R. Hutchison
Researcher at University of Pittsburgh
Publications - 77
Citations - 16970
Geoffrey R. Hutchison is an academic researcher from University of Pittsburgh. The author has contributed to research in topics: Density functional theory & Piezoelectricity. The author has an hindex of 27, co-authored 72 publications receiving 12750 citations. Previous affiliations of Geoffrey R. Hutchison include Pennsylvania State University & Northwestern University.
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Journal ArticleDOI
Open Babel: An open chemical toolbox
Noel M. O'Boyle,Michael Banck,Craig A. James,Chris Morley,Tim Vandermeersch,Geoffrey R. Hutchison +5 more
TL;DR: The implementation of Open Babel is detailed, key advances in the 2.3 release are described, and a variety of uses are outlined both in terms of software products and scientific research, including applications far beyond simple format interconversion.
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Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Marcus D. Hanwell,Marcus D. Hanwell,Donald Ephraim Curtis,David Lonie,Tim Vandermeersch,Eva Zurek,Geoffrey R. Hutchison +6 more
TL;DR: The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API) with three-dimensional visualization capabilities; and has direct applications to research and education in the fields of chemistry, physics, materials science, and biology.
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Hopping transport in conductive heterocyclic oligomers: reorganization energies and substituent effects.
TL;DR: A systematic theoretical analysis of cation internal reorganization energies for a broad family of organic oligoheterocycles-variation of reorganization energy with oligomer chain length, heteroatom identity, and a range of heterocycle substituents provides key information on important structural properties governing internal reorganizations energies.
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The Blue Obelisk—Interoperability in Chemical Informatics
Rajarshi Guha,Michael T. Howard,Geoffrey R. Hutchison,Peter Murray-Rust,Henry Rzepa,Christoph Steinbeck,Jörg K. Wegner,Egon Willighagen +7 more
TL;DR: The Blue Obelisk Movement is the name used by a diverse Internet group promoting reusable chemistry via open source software development, consistent and complimentary chemoinformatics research, open data, and open standards.
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Intermolecular charge transfer between heterocyclic oligomers. Effects of heteroatom and molecular packing on hopping transport in organic semiconductors.
TL;DR: A multivariate, systematic analysis of bandwidth as a function of intermolecular orientations is undertaken for a series of oligo heterocycles, revealing that bandwidths and intrinsic mobilities of holes and electrons in conjugated oligoheterocycles can be quite comparable.